SCHEMBL7259169

SCHEMBL7259169

Cc1cc2ccncc2c(Oc2ccc(CC(Nc3c(N4C(C)CCC4C)c(=O)c3=O)C(=O)O)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.42
ITGA4 P13612 20/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7259164 1.00 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7264633 0.93 ITGB1 (0.35) ITGB1ITGA4
SCHEMBL7264630 0.93 ITGB1 (0.35) ITGB1ITGA4
SCHEMBL7263466 0.91 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7258982 0.91 ITGB1 (0.46) ITGB1ITGA4
SCHEMBL7258989 0.91 ITGB1 (0.46) ITGB1ITGA4
SCHEMBL7263213 0.91 ITGB1 (0.46) ITGB1ITGA4
SCHEMBL7258986 0.91 ITGB1 (0.46) ITGB1ITGA4
SCHEMBL7260123 0.90 ITGB1 (0.40) ITGB1ITGA4
SCHEMBL7260129 0.90 ITGB1 (0.40) ITGB1ITGA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545013-B2 Of squaric acids; inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells. CELLTECH R&D LIMITED (GB) 2003-04-08 US claimed
US-20020115684-A1 2, 7-naphthyridine derivatives CELLTECH R&D, LTD. (GB) 2002-08-22 US claimed
US-6545013-B2 Of squaric acids; inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells. CELLTECH R&D LIMITED (GB) 2003-04-08 US disclosed
US-20020115684-A1 2, 7-naphthyridine derivatives CELLTECH R&D, LTD. (GB) 2002-08-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020115684-A1 2, 7-naphthyridine derivatives VCAM1, ICAM1, SELL ITGB1 35/4885ITGA4 267/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.